SCHEMBL29650255

SCHEMBL29650255

O=S(=O)(Cl)c1cnc2c(c1)NCCO2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.37
ALPL P05186 5/20 0.34
GRM5 P41594 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19041889 0.77 MAP4K1 (0.39) MAP4K1GRM5ALDH1A1GAAMAPT
SCHEMBL3231929 0.76
SCHEMBL19707192 0.75 GRM1 (0.34) ALDH1A1HSD17B10
SCHEMBL30199232 0.75 GRM1 (0.34) ALDH1A1HSD17B10
SCHEMBL19692901 0.74 USP9X (0.42) ALDH1A1HSD17B10
SCHEMBL24723495 0.72 MAP4K1 (0.38) MAP4K1GRM5ALDH1A1GAAMAPT
SCHEMBL17630687 0.72 MAP4K1 (0.38) MAP4K1GRM5ALDH1A1GAAMAPT
SCHEMBL34470940 0.72 MAP4K1 (0.38) MAP4K1ALPLGRM5ALDH1A1GAA
SCHEMBL752154 0.72 MAP4K1 (0.38) MAP4K1GRM5ALDH1A1GAAMAPT
SCHEMBL1191469 0.72 ALDH1A1 (0.50) MAP4K1GRM5ALDH1A1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed